methyl 4-[4-[4-(oxidanylcarbamoyl)oxan-4-yl]sulfonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[4-(oxidanylcarbamoyl)oxan-4-yl]sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylpiperazin-1-yl]benzoate CAS Name: 4-[4-[[4-[(hydroxyamino)-oxomethyl]-4-oxanyl]sulfonyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylpiperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylpiperazino]benzoic acid methyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)NO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)NO

InChI

InChI=1S/C18H25N3O7S/c1-27-16(22)14-2-4-15(5-3-14)20-8-10-21(11-9-20)29(25,26)18(17(23)19-24)6-12-28-13-7-18/h2-5,24H,6-13H2,1H3,(H,19,23)